(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide

C23H25NO2S — CID 134918159

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1cccs1
InChIInChI=1S/C23H25NO2S/c1-17(22(25)19-12-7-4-8-13-19)24(2)23(26)20(21-14-9-15-27-21)16-18-10-5-3-6-11-18/h3-15,17,20,22,25H,16H2,1-2H3/t17-,20-,22+/m0/s1
InChIKeyKFQUFACNUSJMER-RBDMOPTHSA-N
MW379.53 g/mol
LogP4.65
Rot. Bonds7

About (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide (PubChem CID 134918159) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide
PubChem CID134918159
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1cccs1
InChIInChI=1S/C23H25NO2S/c1-17(22(25)19-12-7-4-8-13-19)24(2)23(26)20(21-14-9-15-27-21)16-18-10-5-3-6-11-18/h3-15,17,20,22,25H,16H2,1-2H3/t17-,20-,22+/m0/s1
InChIKeyKFQUFACNUSJMER-RBDMOPTHSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(hydroxy)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 9970090
(4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 10113340
(4R,5R)-5-((S)-hydroxy(5-phenylthiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 10133330
(4R,5R)-5-[(R)-Hydroxy-(5-phenyl-thiophen-2-yl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 10270089
(4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-phenylthiophen-2-yl)methyl)-1-methylpyrrolidin-2-one
CID 10293206
Dotefonium Bromide
CID 71913
(4R,5R)-5-((S)-hydroxy(5-(4-hydroxyphenyl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 9969981
(4R,5R)-4-(2-fluorophenyl)-5-[(S)-[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-1-methylpyrrolidin-2-one
CID 10111538
4-(5-((S)-hydroxy((2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl)methyl)thiophen-2-yl)benzonitrile
CID 10134880
(4R,5R)-5-((S)-(5-(2-fluorophenyl)thiophen-2-yl)(hydroxy)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 10156676
(4R,5R)-5-((S)-hydroxy(5-(phenylthio)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 10178838
(4R,5R)-5-[(S)-[5-(benzenesulfonyl)thiophen-2-yl]-hydroxymethyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one
CID 10182079

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide (CID 134918159) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1cccs1.
What is the InChIKey of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide?
The InChIKey is KFQUFACNUSJMER-RBDMOPTHSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-17(22(25)19-12-7-4-8-13-19)24(2)23(26)20(21-14-9-15-27-21)16-18-10-5-3-6-11-18/h3-15,17,20,22,25H,16H2,1-2H3/t17-,20-,22+/m0/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide has a molecular weight of 379.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 134918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).